(4-tert-butylcyclohexyl) 2-(5-naphthalen-2-yl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoate

Systemtic Name: (4-tert-butylcyclohexyl) 2-(5-naphthalen-2-yl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoate Openeye Name: (4-tert-butylcyclohexyl) 2-[5-(2-naphthyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(2-naphthalenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 2-(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate Traditional Name: 2-[4-keto-5-(2-naphthyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid (4-tert-butylcyclohexyl) ester Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H30N2O3S/c1-28(2,3)21-10-12-22(13-11-21)33-24(31)15-30-17-29-26-25(27(30)32)23(16-34-26)20-9-8-18-6-4-5-7-19(18)14-20/h4-9,14,16-17,21-22H,10-13,15H2,1-3H3